tert-butyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate

C16H22N4O3S — CID 31121959

IUPACtert-butyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C16H22N4O3S/c1-16(2,3)23-15(22)19-6-4-18(5-7-19)13(21)10-12-11-20-8-9-24-14(20)17-12/h8-9,11H,4-7,10H2,1-3H3
InChIKeyIPXYADOPFCPARS-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.02
Rot. Bonds2

About tert-butyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate

tert-butyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate (PubChem CID 31121959) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is tert-butyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate
PubChem CID31121959
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Nametert-butyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C16H22N4O3S/c1-16(2,3)23-15(22)19-6-4-18(5-7-19)13(21)10-12-11-20-8-9-24-14(20)17-12/h8-9,11H,4-7,10H2,1-3H3
InChIKeyIPXYADOPFCPARS-UHFFFAOYSA-N
XLogP2.02
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate (CID 31121959) is tert-butyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cn3ccsc3n2)CC1.
What is the InChIKey of tert-butyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate?
The InChIKey is IPXYADOPFCPARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-16(2,3)23-15(22)19-6-4-18(5-7-19)13(21)10-12-11-20-8-9-24-14(20)17-12/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of tert-butyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate?
tert-butyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate has a molecular weight of 350.44 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate is sourced from PubChem (CID 31121959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).